3IBO
Pseudomonas aeruginosa E2Q/H83Q/T126H-azurin RE(PHEN)(CO)3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-06-15 |
| Detector | ADSC |
| Wavelength(s) | 0.9480 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.480, 56.710, 97.820 |
| Unit cell angles | 90.00, 102.70, 90.00 |
Refinement procedure
| Resolution | 28.858 - 1.450 |
| Rwork | 0.206 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i7s |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (2.7.2) |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 28.860 | 1.530 |
| High resolution limit [Å] | 1.450 | 4.590 | 1.450 |
| Rmerge | 0.087 | 0.066 | 0.263 |
| Total number of observations | 7091 | 34552 | |
| Number of reflections | 84131 | ||
| <I/σ(I)> | 10.9 | 8.8 | 1.8 |
| Completeness [%] | 99.8 | 96.3 | 100 |
| Redundancy | 2.8 | 2.7 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 20% PEG4000, 100 MM LINO3, 100 MM IMIDAZOLE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
